Geometry & MOs

Info

ID:	128858
PubChem CID:	51060677
Reduced:	BrN2O3C33H47 (1)
Stoich.:	AB2C3D33E47 (1)
Weight, g/mol:	398.329714
ΔH_f, kcal/mol:	-125.0
Dipole, Da:	5.29
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]hexadecanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations